Formula |
C27H28N2O5S |
IUPAC Name |
(2s)-3-(4-hydroxyphenyl)-2-[[(2s)-3-phenyl-2-[[(2s)-3-phenyl-2-sulfanyl-propanoyl]amino]propanoyl]amino]propanoic acid |
Molecular Mass |
492.587 g·mol−1 |
Heat of Formation |
-727.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.23 ± 1.08 D |
Volume |
592.3 Å 3 |
Surface Area |
440.7 Å 2 |
HOMO Energy |
-9.07 ± 0.55 eV |
LUMO Energy |
2.51 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2-sulfanyl-3-phenylpropanoyl)-phe-tyr
- (2s)-3-(4-hydroxyphenyl)-2-[[(2s)-2-[[(2s)-2-mercapto-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]propanoic acid
- (2s)-3-(4-hydroxyphenyl)-2-[[(2s)-2-[[(2s)-2-mercapto-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propionic acid
- (2s)-3-(4-hydroxyphenyl)-2-[[(2s)-3-phenyl-2-[[(2s)-3-phenyl-2-sulfanyl-propanoyl]amino]propanoyl]amino]propanoic acid
- (2s)-3-(4-hydroxyphenyl)-2-[[(2s)-3-phenyl-2-[[(2s)-3-phenyl-2-sulfanylpropanoyl]amino]propanoyl]amino]propanoic acid
- ti2
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InChIKey |
GIVBBFGMRNXKPE-HJOGWXRNSA-N |
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Elements |
H
S
C
O
N
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